[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

C56H59GeIrN3O-2 — CID 156659708

IUPAC[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1C2CC3CC(C2)CC1C3.[Ir]
InChIInChI=1S/C31H27N2O.C25H32GeN.Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-26(2,3)24-16-27-25(19-7-5-4-6-8-19)15-22(24)14-23-20-10-17-9-18(12-20)13-21(23)11-17;/h5-14,16-20H,1-4H3;4-7,15-18,20-21,23H,9-14H2,1-3H3;/q2*-1;
InChIKeyFMDPLVIHDHBRAF-UHFFFAOYSA-N
MW1054.93 g/mol
LogP14.35
Rot. Bonds8

About [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (PubChem CID 156659708) has the molecular formula C56H59GeIrN3O-2 and a molecular weight of 1054.93 g/mol. Its IUPAC name is [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
PubChem CID156659708
Molecular FormulaC56H59GeIrN3O-2
Molecular Weight1054.93 g/mol
Exact Mass1056.35
IUPAC Name[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1C2CC3CC(C2)CC1C3.[Ir]
InChIInChI=1S/C31H27N2O.C25H32GeN.Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-26(2,3)24-16-27-25(19-7-5-4-6-8-19)15-22(24)14-23-20-10-17-9-18(12-20)13-21(23)11-17;/h5-14,16-20H,1-4H3;4-7,15-18,20-21,23H,9-14H2,1-3H3;/q2*-1;
InChIKeyFMDPLVIHDHBRAF-UHFFFAOYSA-N
XLogP14.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.93
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]germane
CID 156660485
[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 163495908
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156660716
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659986
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671354
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 162776775
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156660679
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339169
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659963
iridium;3-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499378
2-(3H-dibenzofuran-3-id-4-yl)-6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164825067

Frequently Asked Questions

What is the IUPAC name of [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The IUPAC name of [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (CID 156659708) is [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.
What is the SMILES notation for [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The canonical SMILES for [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1C2CC3CC(C2)CC1C3.[Ir].
What is the InChIKey of [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The InChIKey is FMDPLVIHDHBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N2O.C25H32GeN.Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-26(2,3)24-16-27-25(19-7-5-4-6-8-19)15-22(24)14-23-20-10-17-9-18(12-20)13-21(23)11-17;/h5-14,16-20H,1-4H3;4-7,15-18,20-21,23H,9-14H2,1-3H3;/q2*-1;.
What are the key properties of [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium has a molecular weight of 1054.93 g/mol, XLogP of 14.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is sourced from PubChem (CID 156659708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).